SCHEMBL7703584

SCHEMBL7703584

CSc1ncc(-c2ccccc2Cl)c(N(C)C(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.39
NTRK1 P04629 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6872485 0.84 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL6868503 0.79 KMT2A (0.64) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL6868506 0.79 TACR1 (0.56)
SCHEMBL12126619 0.73 MAPT (0.54) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL7703582 0.73 RXFP1 (0.46) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL6016328 0.73 RXFP1 (0.53) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL6866229 0.71 MAPT (0.58) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL6862548 0.71 TACR1 (0.40) SMN1; SMN2MAPTNPC1RXFP1AURKA
SCHEMBL6862075 0.70 AURKA (0.45) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL6862070 0.69 HSP90AA1 (0.47) SMN1; SMN2MEN1KMT2AMAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187814-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
WO-2000073278-A2 5-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO disclosed